2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid

C16H25N3O4 — CID 120528574

IUPAC2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)NCC(CC(C)C)C(=O)O)c1CC
InChIInChI=1S/C16H25N3O4/c1-5-11-12(6-2)18-19-15(21)13(11)14(20)17-8-10(16(22)23)7-9(3)4/h9-10H,5-8H2,1-4H3,(H,17,20)(H,19,21)(H,22,23)
InChIKeyCMVDVDCLBKAVKO-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.37
Rot. Bonds8

About 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid

2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 120528574) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID120528574
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)NCC(CC(C)C)C(=O)O)c1CC
InChIInChI=1S/C16H25N3O4/c1-5-11-12(6-2)18-19-15(21)13(11)14(20)17-8-10(16(22)23)7-9(3)4/h9-10H,5-8H2,1-4H3,(H,17,20)(H,19,21)(H,22,23)
InChIKeyCMVDVDCLBKAVKO-UHFFFAOYSA-N
XLogP1.37
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid with MolForge

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Related Compounds

2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 120525163
4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid
CID 119352743
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
3,4-diethyl-6-oxo-1H-pyridazine-5-carbothioamide
CID 71756130
3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
CID 97059070
5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid
CID 120528938
2-[[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528510
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
CID 120873070
5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
CID 71920567
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 120528574) is 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid is CCc1n[nH]c(=O)c(C(=O)NCC(CC(C)C)C(=O)O)c1CC.
What is the InChIKey of 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is CMVDVDCLBKAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-5-11-12(6-2)18-19-15(21)13(11)14(20)17-8-10(16(22)23)7-9(3)4/h9-10H,5-8H2,1-4H3,(H,17,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 323.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 120528574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).